Information card for entry 2008932

Structure parameters

• Chemical name: Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)
• Formula: C20 H38 N14 O22 S2 Th
• Calculated formula: C20 H38 N14 O22 S2 Th
• SMILES: c1[nH+]c(ccc1)C(=N\NC(=S)N)\C.[Th]123456(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)(ON(=O)=[O]4)(ON(=[O]5)=O)ON(=[O]6)=O.CO.CO.c1cccc(/C(=N/NC(=S)N)C)[nH+]1.CO.CO
• Title of publication: Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-<i>O</i>,<i>O</i>')thorate(IV) tetramethanol solvate
• Authors of publication: Abram, Ulrich; Bonfada, Elida; Schulz Lang, Ernesto; Acetylpyridinium thiosemicarbazone)hexanitratothorate(IV)
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1479 - 1482
• a: 9.07 ± 0.003 Å
• b: 10.974 ± 0.005 Å
• c: 12.102 ± 0.004 Å
• α: 64.85 ± 0.03°
• β: 71.36 ± 0.03°
• γ: 76.37 ± 0.03°
• Cell volume: 1026.2 ± 0.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes